2-[4-(2-azanylethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 2-[4-(2-azanylethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 2-[4-(2-aminoethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 2-[4-(2-aminoethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 2-[4-(2-aminoethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 2-[4-(2-aminoethyl)phenyl]-1-cyclopropyl-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=C(C(=C(C2=O)C(=O)O)C3=CC=C(C=C3)CCN)C4CC4

Isomeric SMILES

CC1=CC=CN2C1=C(C(=C(C2=O)C(=O)O)C3=CC=C(C=C3)CCN)C4CC4

InChI

InChI=1S/C22H22N2O3/c1-13-3-2-12-24-20(13)18(16-8-9-16)17(19(21(24)25)22(26)27)15-6-4-14(5-7-15)10-11-23/h2-7,12,16H,8-11,23H2,1H3,(H,26,27)